3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

C23H28FN3O4 — CID 24791743

IUPAC3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(C(=O)N2CCCC(CCC(=O)NCc3ccccc3F)C2)c(OC)n1
InChIInChI=1S/C23H28FN3O4/c1-30-21-12-10-18(22(26-21)31-2)23(29)27-13-5-6-16(15-27)9-11-20(28)25-14-17-7-3-4-8-19(17)24/h3-4,7-8,10,12,16H,5-6,9,11,13-15H2,1-2H3,(H,25,28)
InChIKeyLVXOOVDHQLXNQT-UHFFFAOYSA-N
MW429.49 g/mol
LogP3.19
Rot. Bonds8

About 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide

3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 24791743) has the molecular formula C23H28FN3O4 and a molecular weight of 429.49 g/mol. Its IUPAC name is 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID24791743
Molecular FormulaC23H28FN3O4
Molecular Weight429.49 g/mol
Exact Mass429.21
IUPAC Name3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
SMILESCOc1ccc(C(=O)N2CCCC(CCC(=O)NCc3ccccc3F)C2)c(OC)n1
InChIInChI=1S/C23H28FN3O4/c1-30-21-12-10-18(22(26-21)31-2)23(29)27-13-5-6-16(15-27)9-11-20(28)25-14-17-7-3-4-8-19(17)24/h3-4,7-8,10,12,16H,5-6,9,11,13-15H2,1-2H3,(H,25,28)
InChIKeyLVXOOVDHQLXNQT-UHFFFAOYSA-N
XLogP3.19
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 97275855
3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 45186260
ethyl 3-[[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]propanoate
CID 25457189
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
(3-fluoro-2-methoxyphenyl)-[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550301
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45228791
N-(3-fluorophenyl)-3-[3-[(2-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carboxamide
CID 53138111
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630
N-[(3,4-difluorophenyl)methyl]-3-[(3R)-1-(2-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 42377501

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide (CID 24791743) is 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is COc1ccc(C(=O)N2CCCC(CCC(=O)NCc3ccccc3F)C2)c(OC)n1.
What is the InChIKey of 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is LVXOOVDHQLXNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O4/c1-30-21-12-10-18(22(26-21)31-2)23(29)27-13-5-6-16(15-27)9-11-20(28)25-14-17-7-3-4-8-19(17)24/h3-4,7-8,10,12,16H,5-6,9,11,13-15H2,1-2H3,(H,25,28).
What are the key properties of 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide?
3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 429.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethoxypyridine-3-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 24791743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).